SCHEMBL5766732

SCHEMBL5766732

COC(=O)Cn1ccnc1-c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAA Q9Y263 1/20 0.44
ALPG P10696 1/20 0.43
TRPA1 O75762 1/20 0.43
GRIN2B Q13224 5/20 0.42
ESR1 P03372 1/20 0.42
MAPT P10636 1/20 0.41
KDR P35968 1/20 0.41
NOD1 Q9Y239 2/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90B1 P14625 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MALT1 Q9UDY8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3065532 0.79 GRIN1 (0.38) GRIN2BESR1KDM4EHSD17B10ALDH1A1
SCHEMBL10392077 0.78 ALDH1A1 (0.49) GRIN2BESR1MAPTKDRKDM4E
SCHEMBL5765600 0.76 SMN1; SMN2 (0.42) PLAAALPGESR1KDM4EHSD17B10
SCHEMBL8947167 0.75 HPGD (0.50) TRPA1MAPTHSP90AA1KDM4EHPGD
SCHEMBL15114951 0.74 TSHR (0.54) TRPA1MAPTKDM4EHPGDALDH1A1
SCHEMBL25402021 0.73 ESR1 (0.61) PLAAALPGGRIN2BESR1
SCHEMBL18968463 0.72 KDM4E (0.58) MAPTKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL22234295 0.72 ESR1 (0.57) PLAAALPGESR1KDM4EALDH1A1
SCHEMBL2315255 0.72 BRD4 (0.53) ESR1HSP90AA1KDM4EHSD17B10ALDH1A1
SCHEMBL5763847 0.72 NPSR1 (0.52) MAPTKDRKDM4EHPGDHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506194-B1 SUBSTITUTED RING-FUSED IMIDAZOLE DERIVATES: GABA sb A /sb RECEPTOR LIGANDS NEUROGEN CORP (US) 2006-07-19 EP disclosed
US-6916827-B2 Substituted ring-fused imidazole derivative: GABAA receptors ligands NEUROGEN CORPORATION (US) 2005-07-12 US disclosed
EP-1506194-A1 SUBSTITUTED RING-FUSED IMIDAZOLE DERIVATES: GABA sb A /sb RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-02-16 EP disclosed
US-20040014780-A1 Substituted ring-fused imidazole derivative: GABAA receptors ligands NEUROGEN CORPORATION 2004-01-22 US disclosed
WO-2003097643-A1 SUBSTITUTED RING-FUSED IMIDAZOLE DERIVATES: GABAA RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2003-11-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040014780-A1 Substituted ring-fused imidazole derivative: GABAA receptors ligands GABRB1, GABRA1, GABRB3 PLAA 4545/4885ALPG 3222/4885TRPA1 1689/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.